2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C13H22N2O3 — CID 116705711

IUPAC2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCC(OCC)c1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C13H22N2O3/c1-5-7-9(18-6-2)11-14-12(16)10(8(3)4)13(17)15-11/h8-9H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyQOTLFNLZSRGEGM-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.48
Rot. Bonds6

About 2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 116705711) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID116705711
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCC(OCC)c1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C13H22N2O3/c1-5-7-9(18-6-2)11-14-12(16)10(8(3)4)13(17)15-11/h8-9H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyQOTLFNLZSRGEGM-UHFFFAOYSA-N
XLogP2.48
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 113819704
4-hydroxy-2-(methoxymethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611277
4-hydroxy-5-propan-2-yl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63611442
4-hydroxy-2-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63612119
5-ethyl-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 63612450
5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612619
4-hydroxy-2-(methoxymethyl)-5-propyl-1H-pyrimidin-6-one
CID 63613286
4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one
CID 63613288
5-ethyl-4-hydroxy-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 63613615
4-hydroxy-2-(2-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613630
4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one
CID 63613818
2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64540876

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 116705711) is 2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CCCC(OCC)c1nc(O)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is QOTLFNLZSRGEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-7-9(18-6-2)11-14-12(16)10(8(3)4)13(17)15-11/h8-9H,5-7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 254.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 116705711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).